SCHEMBL10034398

SCHEMBL10034398

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc3-4)c3cccc4ccccc34)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ CHRNA1 P02708 1/20 0.35
▸ CHRNG P07510 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CHRND Q07001 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10034330 1.00 LPL (0.35) LPLLIPGCHRNA1CHRNGCHRNB1
SCHEMBL16366330 0.99 LPL (0.34) LPLLIPGCHRNA1CHRNGCHRNB1
SCHEMBL16366593 0.99 LPL (0.34) LPLLIPGCHRNA1CHRNGCHRNB1
SCHEMBL10034435 0.99 LPL (0.34) LPLLIPGCHRNA1CHRNGCHRNB1
SCHEMBL16366110 0.98 CHRNA1 (0.33) LPLLIPGCHRNA1CHRNGCHRNB1
SCHEMBL16366601 0.98 CHRNA1 (0.33) LPLLIPGCHRNA1CHRNGCHRNB1
SCHEMBL15496060 0.97 LPL (0.34) LPLLIPGCHRNA1CHRNGCHRNB1
SCHEMBL10034372 0.96 LPL (0.35) LPLLIPGCHRNA1CHRNGCHRNB1
SCHEMBL15496036 0.95 LPL (0.34) LPLLIPGCHRNA1CHRNGCHRNB1
SCHEMBL15495733 0.95 LPL (0.34) LPLLIPGCHRNA1CHRNGCHRNB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980442-B2 Aromatic amine derivative and organic electroluminescent element using same MITSUI CHEMICALS, INC. (JP) 2015-03-17 — — US disclosed
US-8980442-B2 Aromatic amine derivative and organic electroluminescent element using same MITSUI CHEMICALS, INC. (JP) 2015-03-17 — — US disclosed
US-20120012832-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME MITSUI CHEMICALS, INC. (JP) 2012-01-19 — — US disclosed
US-20120012832-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME MITSUI CHEMICALS, INC. (JP) 2012-01-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120012832-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME MAOA, MAOB, TYR LPL 1699/4885LIPG 1996/4885CHRNA1 373/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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